Biological and Chemical Physics Commons^™

Potassium Chlorate Decomposition Under High Pressure, Harrison Ruiz, Michael G. Pravica, Martin Galley

Undergraduate Research Opportunities Program (UROP)

High pressure physics involves placing various substances under high pressure and observing changes in that substance. In this experiment this high amount of pressure is induced using a diamond anvil cell. A diamond anvil cell uses a metal gasket to hold the sample between two diamonds, which will press on the sample to reach high pressures. High pressures are reached with a moderate amount of force by exerting that force over a small area. Diamonds are used for the compression because of their hardness and ability to resist compression. The pressure being exerted on the sample using a diamond anvil …

Laser Microraman Study Of Reduced Synthesized Spinel Powders, Alexandra J. Leandre, Michael M. Rodriguez, Joseph Lussier, Brittany Morgan, Brian Hosterman, John W. Farley

Undergraduate Research Opportunities Program (UROP)

The Raman effect is the excitation or de-excitation of vibrational modes resulting from the inelastic scattering of light from a gas, liquid, or solid with a shift in energy from that of the usually incident radiation. Raman microscopy was performed on synthesized spinel powders of solid solution FexCr3-xO4 to determine the dependence of the vibrational modes upon the metal cations. The powders were synthesized in a combustion reaction using metal nitrates and urea. The oxide powders were reduced in a hydrogen/argon gas flow at high temperature.

High Pressure X-Ray Diffraction Studies On Zrfe2: A Potential Hydrogen Absorption Medium, Dylan D. Wood, Ravhi S. Kumar

Undergraduate Research Opportunities Program (UROP)

The potential application of intermetallic compounds (IMC) under high hydrogen pressure in studies of hydrogen sorption properties is defined by two important properties. Intermetallics of Laves phases have a suitable binding energy for hydrogen which allows its absorption or desorption near room temperature and atmospheric pressure. High pressures allow to efficiently interact hydrogen with intermetallics, which were considered nonhydride forming [1,2]. For example, ZrFe2, ZrCo2, and ZrFe2 possess fairly high hydrogen absorption capacity at high pressures [3]. A nonactivated ZrFe2 sample starts to interact with hydrogen only at 80 MPa, while equilibrium absorption and desorption pressures of the activated alloy …

Kinematic Evidence For Superfast Locomotory Muscle In Two Species Of Teneriffiid Mites, Grace C. Wu, Jonathan C. Wright, Dwight L. Whitaker, Anna N. Ahn

All HMC Faculty Publications and Research

Locomotory muscles typically operate over a narrow range of contraction frequencies, characterized by the predominant fiber types and functional roles. The highest documented frequencies in the synchronous sound-producing muscles of insects (550 Hz) and toadfish (200 Hz) far exceed the contraction frequencies observed in weight-bearing locomotory muscles, which have maximum documented frequencies below 15-30 Hz. Laws of scaling, however, predict that smaller arthropods may employ stride frequencies exceeding this range. In this study we measured running speed and stride frequency in two undescribed species of teneriffiid mites from the coastal sage scrub of southern California. Relative speeds of both species …

The Mechanical Stress–Strain Properties Of Single Electrospun Collagen Type I Nanofibers, Christine C. Helms, Corentin Coulais, Martin Guthold

Physics Faculty Publications

Knowledge of the mechanical properties of electrospun fibers is important for their successful application in tissue engineering, material composites, filtration and drug delivery. In particular, electrospun collagen has great potential for biomedical applications due to its biocompatibility and promotion of cell growth and adhesion. Using a combined atomic force microscopy (AFM)/optical microscopy technique, the single fiber mechanical properties of dry, electrospun collagen type I were determined. The fibers were electrospun from a 80 mg ml⁻¹ collagen solution in 1,1,1,3,3,3-hexafluro-2-propanol and collected on a striated surface suitable for lateral force manipulation by AFM. The small strain modulus, calculated from three-point …

Understanding The Role Of Electrostatics On Protein-Protein Binding, Rooplekha C Mitra

All Theses

Ionized groups carry net charge and thus play a major role in the electrostatic interactions between the ligand and receptor. So understanding the role of electrostatics on protein-protein interactions is crucial for understanding the contribution of ionizable groups to the binding. However, their ionization states depend on many factors including pH of water phase. The complexity comes from the fact that the pKa's of ionizable groups may be quite different from their standard values and even may change due to protein-protein binding. The main difficulty in modeling plausible ionization changes induced by the complex formation arises from the differences in …

A Surface Femtosecond Two-Photon Photoemission Spectrometer For Excited Electron Dynamics And Time-Dependent Photochemical Kinetics, Zefeng Ren, Chuanyao Zhou, Zhibo Ma, Chun-Lei Xhao, Xinchun Mao, Dongxu Dai, Jerry L. Larue, Russell Cooper, Alec M. Wodtke, Xueming Yang

Biology, Chemistry, and Environmental Sciences Faculty Articles and Research

A surface femtosecond two-photon photoemission (2PPE) spectrometer devoted to the study of ultrafast excited electron dynamics and photochemical kinetics on metal and metal oxide surfaces has been constructed. Low energy photoelectrons are measured using a hemispheri- cal electron energy analyzer with an imaging detector that allows us to detect the energy and the angular distributions of the photoelectrons simultaneously. A Mach-Zehnder interferom- eter was built for the time-resolved 2PPE (TR-2PPE) measurement to study ultrafast surface excited electron dynamics, which was demonstrated on the Cu(111) surface. A scheme for measuring time-dependent 2PPE (TD-2PPE) spectra has also been developed for studies of …

On The Ph-Optimum Of Activity And Stability Of Proteins, Kemper Tally, Emil Alexov

Publications

Biological macromolecules evolved to perform their function in specific cellular environment (subcellular compartments or tissues); therefore, they should be adapted to the biophysical characteristics of the corresponding environment, one of them being the characteristic pH. Many macromolecular properties are pH dependent, such as activity and stability. However, only activity is biologically important, while stability may not be crucial for the corresponding reaction. Here, we show that the pH-optimum of activity (the pH of maximal activity) is correlated with the pH-optimum of stability (the pH of maximal stability) on a set of 310 proteins with available experimental data. We speculate that …

The Mechanical Properties Of Single Fibrin Fibers, W. Liu, Christine C. Helms, E. A. Sparks, Martin Guthold

Physics Faculty Publications

Background:

Blood clots perform the mechanical task of stemming the flow of blood.

Objectives:

To advance understanding and realistic modeling of blood clot behavior we determined the mechanical properties of the major structural component of blood clots, fibrin fibers.

Methods:

We used a combined atomic force microscopy (AFM)/fluorescence microscopy technique to determine key mechanical properties of single crosslinked and uncrosslinked fibrin fibers.

Results and conclusions:

Overall, full crosslinking renders fibers less extensible, stiffer, and less elastic than their uncrosslinked counterparts. All fibers showed stress relaxation behavior (time-dependent weakening) with a fast and a slow relaxation time, 2 and 52 s. …

Strength And Failure Of Fibrin Fiber Branch Points, Christine C. Helms, E. A. Sparks, C. Der Laughian, Martin Guthold

Physics Faculty Publications

Blood clots form rapidly in the event of vascular injury, to prevent blood loss. They may also form in undesired places, causing heart attacks, strokes, and other diseases. Blood clots can rupture, and fragments of the clotmay lodge in distal blood vessels, causing, for example, ischemic strokes or embolisms. Thus, there has been great interest in understanding the mechanical behavior and failure mechanisms of blood clots and their constituents. To develop a mechanically realistic model of a blood clot, knowledge of the mechanical properties of its constituents is required. The major structural component providing mechanical strength to the clot is …

Understanding The Biological And Environmental Implications Of Nanomaterials, Sijie Lin

All Dissertations

The last two decades have witnessed the discovery, development, and large-scale manufacturing of novel nanomaterials. While nanomaterials bring in exciting and extraordinary properties in all areas of materials, electronics, mechanics, and medicine, they also could generate potential adverse effects in biological systems and in the environment. The currently limited application of nanomaterials in biological and ecological systems results from the insufficient and often controversial data on describing the complex behaviors of nanomaterials in living systems. The purpose of this dissertation intends to fill such a knowledge void with methodologies from the disciplines of biophysics, biology, and materials science and engineering. …

Environmental Analysis Of Toxic Metals Produced By Cigarette Smoking, Catherine H. Swandby, Melissa C. Rhoten, Joseph E. Garcia

Theses & Honors Papers

Trace metal elements introduced into our environment from anthropogenic sources can become toxic at high levels contributing to a host of human and animal health problems. The purpose of this work is to initially characterize toxic metals present in cigarette tobacco and ash using Electrothermal Atomic Absorption Spectroscopy (ETAAS). The broader impact of this study is to assess the environmental effects of cigarette smoking around designated smoking areas on the Longwood University campus. Smokers may not be informed about the potential harm to the environment from "ashing" directly on the ground. If the toxic metals present in cigarette ash are …

Photon Density Of States Of 47-Iron And 161-Dysprosium In Dyfe3 By Nuclear Resonant Inelastic X-Ray Scattering Under High Pressure, Elizabeth Anne Tanis

UNLV Theses, Dissertations, Professional Papers, and Capstones

The dual partial phonon density of states (DOS) from two different Mossbauer isotopes (161Dy and 57Fe) in the same material (DyFe3) was successfully measured using the nuclear resonant inelastic x-ray scattering (NRIXS) technique at high pressure. Nuclear inelastic scattering measurements yield an in-depth understanding of the element-specific dynamic properties. The Debye temperatures, the Lamb-Mossbauer factor (fLM), and the vibrational contributions to the Helmholtz free energy (Fvib), specific heat (cV ), entropy (Svib) and internal energy (Uvib) are calculated directly from the phonon density of states.

Measurement Of Γ-Emission Branching Ratios For 154,156,158Gd Compound Nuclei: Tests Of Surrogate Nuclear Reaction Approximations For (N,Γ) Cross Sections, N. D. Scielzo

Physics Faculty Publications

The surrogate nuclear reaction method can be used to determine neutron-induced reaction cross sections from measured decay properties of a compound nucleus created using a different reaction and calculated formation cross sections. The reliability of (n,γ) cross sections determined using the Weisskopf-Ewing and ratio approximations are explored for the ^{155, 157}Gd(n,γ) reactions. Enriched gadolinium targets were bombarded with 22-MeV protons and γ rays were detected in coincidence with scattered protons using the Silicon Telescope Array for Reaction Studies/Livermore-Berkeley Array for Collaborative Experiments (STARS/LiBerACE) silicon and germanium detector arrays. The γ-emission probabilities for the ^{154, 156, …}

Structural Assessment Of The Effects Of Amino Acid Substitutions On Protein Stability And Protein-Protein Interaction, Shaolei Teng, Liangjiang Wang, Anand K. Srivastava, Charles E. Schwartz, Emil Alexov

Publications

A structure-based approach is described for predicting the effects of amino acid substitutions on protein function. Structures were predicted using a homology modelling method. Folding and binding energy differences between wild-type and mutant structures were computed to quantitatively assess the effects of amino acid substitutions on protein stability and protein–protein interaction, respectively. We demonstrated that pathogenic mutations at the interaction interface could affect binding energy and destabilise protein complex, whereas mutations at the non-interface might reduce folding energy and destabilise monomer structure. The results suggest that the structure-based analysis can provide useful information for understanding the molecular mechanisms of diseases.

An Electrochemical Cell For The Efficient Turn Around Of Wafer Working Electrodes, Nicholas Wozniak, Alyssa Frey, Lucas Osterbur, Timothy Boman, Jennifer R. Hampton

Faculty Publications

We present a new design for an electrochemical cell for use with wafer working electrodes. The key feature of the design is the use of half turn thumb screws to form a liquid-tight seal between an o-ring and the sample surface. The assembly or disassembly of the cell requires a half turn of each thumb screw, which facilitates the quick turn around of wafer samples. The electrochemical performance of the cell is demonstrated by cyclic voltammetry and double step chronoamperometry measurements of the ferricyanide/ferrocyanide couple.

Photodissociation Of Ozone In The Hartley Band: Potential Energy Surfaces, Nonadiabatic Couplings, And Singlet/Triplet Branching Ratio, Reinhard Schinke, George C. Mcbane

Peer Reviewed Articles

The lowest five ¹A'states of ozone, involved in the photodissociation with UV light, are analyzed on the basis of multireference configuration interaction electronic structure calculations with emphasis on the various avoided crossings in different regions of coordinate space. Global diabatic potential energy surfaces are constructed for the lowest four states termed X, A, B, and R. In addition, the off-diagonal potentials that couple the initially excited state B with states R and A are constructed to reflect results from additional electronic structure calculations, including the calculation of nonadiabatic coupling matrix elements. The A/X and A/R couplings are also …

Evaluation Of The Potential Of Raman Microspectroscopy For Prediction Of Chemotherapeutic Response To Cisplatin In Lung Adenocarcinoma, Haq Nawaz, Franck Bonnier, Peter Knief, Orla Howe, Fiona Lyng, Aidan Meade, Hugh Byrne

Articles

The study of the interaction of anticancer drugs with mammalian cells in vitro is important to elucidate the mechanisms of action of the drug on its biological targets. In this context, Raman spectroscopy is a potential candidate for high throughput, noninvasive analysis. To explore this potential, the interaction of cis-Diamminedichloroplatinum (II) (Cisplatin) with a human lung adenocarcinoma cell line (A549) was investigated using Raman microspectroscopy. The results were correlated with parallel measurements from the MTT cytotoxicity assay, which yielded an IC50 value of 1.2±0.2 μM. To further confirm the spectral results, Raman spectra were also acquired from DNA extracted from …

Dynamic Path Bifurcation For The Beckmann Reaction: Observation And Implication, H. Yamataka, M. Sato, H. Hasegawa, Salai Cheettu Ammal

Faculty Publications

The reaction of oximes to amides, known as the Beckmann rearrangement, may undergo fragmentation to form carbocations + nitriles instead of amides when the cations have reasonable stability. The reactions of oxime derivatives of 1-substituted-phenyl-2-propanones and 3-substituted-phenyl-2-butanones in aqueous solvents gave both rearrangement and fragmentation products, the ratio of which was dependent on substituents. Transition state (TS) optimizations and intrinsic reaction coordinate (IRC) calculations for the reaction of 1-phenyl-2-propanone oximes showed that there is a single TS for each substituted compound. The IRC path from the TS either led to a rearrangement product or a fragmentation product depending on the …

Sulfur K-Edge Photo-Fragmentation Of Ethylene Sulfide, Wayne C. Stolte, Gunnar Ohrwall

Chemistry and Biochemistry Faculty Research

We have investigated the photofragmentation properties of the three-membered ring heterocyclic molecule ethylene sulfide or thiirane, C₂H₄S, by time-of-flight mass spectroscopy. Positive ions have been collected as a function of photon energy around the S K ionization threshold. Branching ratios were derived for all detected ions, which are informative of the decay dynamics and photofragmentation patterns of the core-excited species. We present a new assignment of the spectral features around the S K-edge.